Geometry & MOs

Info

ID:

98842

PubChem CID:

50046616

Reduced:

ClF2O5N6C39H45 (1)

Stoich.:

AB2C5D6E39F45 (1)

Weight, g/mol:

710.279503

ΔHf, kcal/mol:

-283.79

Dipole, Da:

6.08

IP(EA), eV:

 -9.03(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(propylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=C(C=C2)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)F)C)Cl

DOS

IR

Vibrations